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	hartrees
Energy at 0K	-1357.505191
Energy at 298.15K	-1357.509105
HF Energy	-1357.505191
Nuclear repulsion energy	621.094066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	853	827	413.72
2	A₁	671	650	2.18
3	A₁	562	545	88.30
4	A₁	372	361	4.31
5	B₁	447	434	0.00
6	B₂	628	609	0.00
7	B₂	310	301	0.00
8	E	924	896	341.02
8	E	924	896	341.02
9	E	521	506	16.78
9	E	521	506	16.78
10	E	397	385	1.17
10	E	397	385	1.17
11	E	243	236	0.05
11	E	243	236	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.263
Cl2	0.000	0.000	1.846
F3	0.000	1.627	-0.284
F4	1.627	0.000	-0.284
F5	0.000	-1.627	-0.284
F6	-1.627	0.000	-0.284
F7	0.000	0.000	-1.883

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1094	1.6275	1.6275	1.6275	1.6275	1.6196
Cl2	2.1094		2.6805	2.6805	2.6805	2.6805	3.7289
F3	1.6275	2.6805		2.3014	3.2547	2.3014	2.2815
F4	1.6275	2.6805	2.3014		2.3014	3.2547	2.2815
F5	1.6275	2.6805	3.2547	2.3014		2.3014	2.2815
F6	1.6275	2.6805	2.3014	3.2547	2.3014		2.2815
F7	1.6196	3.7289	2.2815	2.2815	2.2815	2.2815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.725	Cl2	S1	F4	90.725
Cl2	S1	F5	90.725	Cl2	S1	F6	90.725
Cl2	S1	F7	180.000	F3	S1	F4	89.991
F3	S1	F5	178.551	F3	S1	F6	89.991
F3	S1	F7	89.275	F4	S1	F5	89.991
F4	S1	F6	178.551	F4	S1	F7	89.275
F5	S1	F6	89.991	F5	S1	F7	89.275
F6	S1	F7	89.275

All results from a given calculation for SF₅Cl (sulfur chloropentafluoride)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	S	1.289
2	Cl	-0.073
3	F	-0.243
4	F	-0.243
5	F	-0.243
6	F	-0.243
7	F	-0.245

	x	y	z	Total
	0.000	0.000	0.643	0.643
CHELPG
AIM
ESP

<r²>	220.437
(<r²>)^1/2	14.847

All results from a given calculation for SF5Cl (sulfur chloropentafluoride)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for SF₅Cl (sulfur chloropentafluoride)